N-[4-(4-butyl-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl)phenyl]acetamide

C20H20N2O5 — CID 58317048

IUPACN-[4-(4-butyl-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl)phenyl]acetamide
SMILESCCCCc1c2c(oc(=O)c1-c1ccc(NC(C)=O)cc1)CC(=O)NC2=O
InChIInChI=1S/C20H20N2O5/c1-3-4-5-14-17(12-6-8-13(9-7-12)21-11(2)23)20(26)27-15-10-16(24)22-19(25)18(14)15/h6-9H,3-5,10H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyGKEJHYDYZMFSMP-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.42
Rot. Bonds5

About N-[4-(4-butyl-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl)phenyl]acetamide

N-[4-(4-butyl-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl)phenyl]acetamide (PubChem CID 58317048) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[4-(4-butyl-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-butyl-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl)phenyl]acetamide
PubChem CID58317048
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-[4-(4-butyl-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl)phenyl]acetamide
SMILESCCCCc1c2c(oc(=O)c1-c1ccc(NC(C)=O)cc1)CC(=O)NC2=O
InChIInChI=1S/C20H20N2O5/c1-3-4-5-14-17(12-6-8-13(9-7-12)21-11(2)23)20(26)27-15-10-16(24)22-19(25)18(14)15/h6-9H,3-5,10H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyGKEJHYDYZMFSMP-UHFFFAOYSA-N
XLogP2.42
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Methyl 3-methyl-2-oxo-1,2-dihydro-4-quinolinecarboxylate
CID 751540
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
CID 1399519
4-(hydroxyamino)-N-(4-methylphenyl)-2-oxo-6-phenylpyran-3-carboxamide
CID 76318117
Pentyl 2-oxo-1,2-dihydroquinoline-4-carboxylate
CID 660585
[2-[4-(Butanoylamino)phenyl]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7560543
(2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
CID 664971
N-(2-ethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
CID 16021189
N-(3-fluorophenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 16034553
2-Hydroxy-quinoline-4-carboxylic acid isopropyl ester
CID 649586
ethyl 4-[4-(acetylamino)phenyl]-6-amino-5-cyano-2-ethyl-4H-pyran-3-carboxylate
CID 2839319
N-(4-ethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 16008358
N-(3,4-dimethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
CID 16021171

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-butyl-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl)phenyl]acetamide?
The IUPAC name of N-[4-(4-butyl-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl)phenyl]acetamide (CID 58317048) is N-[4-(4-butyl-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-butyl-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(4-butyl-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl)phenyl]acetamide is CCCCc1c2c(oc(=O)c1-c1ccc(NC(C)=O)cc1)CC(=O)NC2=O.
What is the InChIKey of N-[4-(4-butyl-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl)phenyl]acetamide?
The InChIKey is GKEJHYDYZMFSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-3-4-5-14-17(12-6-8-13(9-7-12)21-11(2)23)20(26)27-15-10-16(24)22-19(25)18(14)15/h6-9H,3-5,10H2,1-2H3,(H,21,23)(H,22,24,25).
What are the key properties of N-[4-(4-butyl-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl)phenyl]acetamide?
N-[4-(4-butyl-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl)phenyl]acetamide has a molecular weight of 368.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-butyl-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl)phenyl]acetamide is sourced from PubChem (CID 58317048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).